SCHEMBL1904386

SCHEMBL1904386

CC[C@@H](O)C(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.45
▸ MASP2 O00187 3/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ EHMT2 Q96KQ7 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SMO Q99835 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CCR2 P41597 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1907783 0.89 PDPK1 (0.38) NAMPTMASP2MEN1KMT2A
SCHEMBL1904701 0.88 NAMPT (0.45) NAMPTMASP2EHMT2GAAL3MBTL1
SCHEMBL1907648 0.87 BACE1 (0.44) NAMPTMASP2ALDH1A1
SCHEMBL1905074 0.86 NAMPT (0.43) NAMPTMASP2MEN1KMT2AEHMT2
SCHEMBL1432011 0.86 NAMPT (0.45) NAMPTMASP2MEN1KMT2AEHMT2
SCHEMBL1431865 0.86 NAMPT (0.45) NAMPTMASP2MEN1KMT2AEHMT2
SCHEMBL1902650 0.85 NAMPT (0.42) NAMPTMASP2LMNACCR2
SCHEMBL1432449 0.85 NAMPT (0.43) NAMPTMASP2KMT2AEHMT2GAA
SCHEMBL1432545 0.84 NAMPT (0.44) NAMPTMASP2MEN1KMT2AEHMT2
SCHEMBL1901312 0.84 NAMPT (0.45) NAMPTMASP2MEN1KMT2AEHMT2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 — — WO claimed
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 — — WO disclosed
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